SCHEMBL13365298

SCHEMBL13365298

CCCCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.53
▸ CTSK P43235 12/20 0.51
▸ CTSS P25774 6/20 0.51
▸ PPARG P37231 2/20 0.51
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ CAPN1 P07384 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL805173 1.00 PPARA (0.53) PPARACTSKCTSSPPARGITGB3
SCHEMBL17393 1.00 PPARA (0.53) PPARACTSKCTSSPPARGITGB3
SCHEMBL31407501 0.96 PPARA (0.52) PPARACTSKCTSSPPARGITGB3
SCHEMBL24633954 0.91 PPARA (0.55) PPARACTSKCTSSPPARGITGB3
SCHEMBL21837472 0.91 PPARA (0.55) PPARACTSKCTSSPPARGITGB3
SCHEMBL21837471 0.91 PPARA (0.55) PPARACTSKCTSSPPARGITGB3
SCHEMBL7761525 0.90 PPARA (0.47) PPARACTSKCTSSPPARGITGB3
SCHEMBL14174566 0.87 PPARA (0.43) PPARACTSKCTSSPPARGITGB3
SCHEMBL15243753 0.87 CTSK (0.53) PPARACTSKCTSSPPARGITGB3
SCHEMBL20057099 0.87 CTSK (0.49) PPARACTSKCTSSPPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222430-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-08-04 — — US disclosed
US-9394297-B2 Amides as pim inhibitors AMGEN INC. (US) 2016-07-19 — — US disclosed
US-20150329538-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2015-11-19 — — US disclosed
WO-2015038764-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-03-19 — — WO disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150329538-A1 AMIDES AS PIM INHIBITORS PIM1, PIM3, PIM2 PPARA 1196/4885CTSK 2770/4885CTSS 3374/4885
US-20160222430-A1 D-ALA-D-ALA-BASED DIPEPTIDES AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS DNPEP, DDOST, ALAD PPARA 1274/4885CTSK 2038/4885CTSS 3002/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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